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Details

Stereochemistry ACHIRAL
Molecular Formula C16H18N4O4
Molecular Weight 330.3385
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-(3-Methoxybenzyloxy)caffeine

SMILES

COC1=CC(COC2=NC3=C(N2C)C(=O)N(C)C(=O)N3C)=CC=C1

InChI

InChIKey=SDEMBXFOALFRQD-UHFFFAOYSA-N
InChI=1S/C16H18N4O4/c1-18-12-13(19(2)16(22)20(3)14(12)21)17-15(18)24-9-10-6-5-7-11(8-10)23-4/h5-8H,9H2,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
8-(3-Methoxybenzyloxy)caffeine
Common Name English
3,7-Dihydro-8-[(3-methoxyphenyl)methoxy]-1,3,7-trimethyl-1H-purine-2,6-dione
Systematic Name English
1H-Purine-2,6-dione, 3,7-dihydro-8-[(3-methoxyphenyl)methoxy]-1,3,7-trimethyl-
Common Name English
8-((3-methoxyphenyl)methoxy)-1,3,7-trimethyl-purine-2,6-dione
Systematic Name English
Code System Code Type Description
PUBCHEM
658198
Created by admin on Sat Dec 16 20:22:08 GMT 2023 , Edited by admin on Sat Dec 16 20:22:08 GMT 2023
PRIMARY
CAS
371944-58-0
Created by admin on Sat Dec 16 20:22:08 GMT 2023 , Edited by admin on Sat Dec 16 20:22:08 GMT 2023
PRIMARY
FDA UNII
E7S22MA3BR
Created by admin on Sat Dec 16 20:22:08 GMT 2023 , Edited by admin on Sat Dec 16 20:22:08 GMT 2023
PRIMARY
NIH
NCATS
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